EP 4092716 A3 20230315 - MASS SPECTROMETRY METHOD AND INFORMATION PROCESSING DEVICE
Title (en)
MASS SPECTROMETRY METHOD AND INFORMATION PROCESSING DEVICE
Title (de)
MASSENSPEKTROMETRISCHES VERFAHREN UND INFORMATIONSVERARBEITUNGSVORRICHTUNG
Title (fr)
PROCÉDÉ DE SPECTROMÉTRIE DE MASSE ET DISPOSITIF DE TRAITEMENT D'INFORMATIONS
Publication
Application
Priority
JP 2021083702 A 20210518
Abstract (en)
A composition estimation target peak is selected from a mass spectrum of a sample, and a group of measured isotope peaks related to the composition estimation target peak is selected. A composition candidate for the sample is estimated based on the composition estimation target peak. A distribution of theoretical isotope peaks corresponding to the composition candidate is calculated. Presence or absence of an adduct hydrogen ion or a desorbed hydrogen ion in the sample is determined using an abundance ratio between the relative intensity of an isotope peak (e.g. C-13 peak) and the relative intensity of a protonated ion [M+H]+, wherein the measured isotope peak includes relative intensities of both the isotope peak and the protonated ion. Said abundance ratio is calculated based on a first mass defect difference between isotopes in a distribution of the measured isotope peaks, a second mass defect difference between isotopes in the distribution of the theoretical isotope peak (e.g. 0.00336 Da for C-13) and the mass defect of a hydrogen atom (0.00783 Da).
IPC 8 full level
H01J 49/00 (2006.01)
CPC (source: EP US)
G01N 30/72 (2013.01 - US); G01N 30/8631 (2013.01 - US); H01J 49/0036 (2013.01 - EP US)
Citation (search report)
- [A] JP 2020094892 A 20200618 - JEOL LTD
- [A] US 2009076737 A1 20090319 - WANG YONGDONG [US], et al
- [A] US 2018240659 A1 20180823 - STROHALM MARTIN [DE], et al
- [A] THOMAS DE VIJLDER ET AL: "A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation", MASS SPECTROMETRY REVIEWS., vol. 37, no. 5, 9 November 2017 (2017-11-09), US, pages 607 - 629, XP055571302, ISSN: 0277-7037, DOI: 10.1002/mas.21551
- [A] ROMSON JOAKIM ET AL: "Mass calibration options for accurate electrospray ionization mass spectrometry", INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, ELSEVIER SCIENCE PUBLISHERS , AMSTERDAM, NL, vol. 467, 11 May 2021 (2021-05-11), XP086616621, ISSN: 1387-3806, [retrieved on 20210511], DOI: 10.1016/J.IJMS.2021.116619
Designated contracting state (EPC)
AL AT BE BG CH CY CZ DE DK EE ES FI FR GB GR HR HU IE IS IT LI LT LU LV MC MK MT NL NO PL PT RO RS SE SI SK SM TR
Designated extension state (EPC)
BA ME
Designated validation state (EPC)
KH MA MD TN
DOCDB simple family (publication)
EP 4092716 A2 20221123; EP 4092716 A3 20230315; JP 2022177442 A 20221201; JP 7369736 B2 20231026; US 2022375737 A1 20221124
DOCDB simple family (application)
EP 22172938 A 20220512; JP 2021083702 A 20210518; US 202217746064 A 20220517